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4-methoxy-1-benzothiophene-2-carboxylic acid

4-methoxy-1-benzothiophene-2-carboxylic acid

CAS: 476199-14-1

Formula: C10H8O3S

SMILES: COC1=C2C=C(SC2=CC=C1)C(O)=O

IUPAC: 4-methoxy-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C10H8O3S/c1-13-7-3-2-4-8-6(7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)

Composition: C (57.68%), H (3.87%), O (23.05%), S (15.40%)

Molar Mass: 208.23

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 208.019415292
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HTOLZPMMZRKTCP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.9
Topological Polar Surface Area 46.53
Polarizability 21.37
Ring Count 2
Rotatable Bond Count 2

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